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Dehydrologanin

CAT: 0931-T125755-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125755-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152-91-0
Target
Others
Related Pathways
Others
Bioactivity
Dehydrologanin is a useful organic compound for research related to life sciences. The catalog number is T125755 and the CAS number is 152-91-0.
Smiles
COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(C)C(=O)CC12
Molecular Formula
C17H24O10
Molecular Weight
388.369
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dehydrologanin
CAS Number152-91-0
PubChem CID11968402
IUPAC Namemethyl 7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular FormulaC17H24O10
Molecular Weight388.4
XLogP-1.7
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity619
SMILES
CC1C2C(CC1=O)C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC
InChI
InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,10-14,16-18,20-22H,3-4H2,1-2H3/t6?,7?,10-,11?,12-,13+,14-,16?,17+/m1/s1
InChIKey
LPOVXLVQNSEZGE-ODHYQHNJSA-N
Chemical Structure
2D Structure
2D structure of Dehydrologanin
CAS: 152-91-0
CID: 11968402
Formula: C17H24O10
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP3-1.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass388.13694696
Monoisotopic Mass388.13694696
Topological Polar Surface Area152 Ų
Heavy Atom Count27
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791222Dehydrologanin

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